Geometry & MOs

Info

ID:

190481

PubChem CID:

78010571

Reduced:

FN2O7C39H49 (1)

Stoich.:

AB2C7D39E49 (1)

Weight, g/mol:

585.305015

ΔHf, kcal/mol:

-306.5

Dipole, Da:

3.9

IP(EA), eV:

 -8.99(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-aminopropyl(butyl)amino]-2-oxoethyl]-4-[7-(hydroxymethyl)-1,3-benzodioxol-5-yl]-2-[2-[2-(hydroxymethyl)phenoxy]ethyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(CCC)N(C1=CC(=C(C=C1)F)C)C(=O)CN2CC(C(C2CCCC3=CC=CC=C3CO)C(=O)O)C4=CC(=C5C(=C4)OCO5)CO

DOS

IR

Vibrations